ChemSpider 2D Image | Ethyl 15-(cyclopropylmethyl)-8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate | C33H47N5O7

Ethyl 15-(cyclopropylmethyl)-8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID76827710

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

15-(Cyclopropylméthyl)-8-[3-(3,5-diméthyl-1H-pyrazol-1-yl)propanoyl]-20-méthoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]hénicosa-1(21),17,19-triène-15-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxa-5,8,13-triazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-15-carboxylic acid, 15-(cyclopropylmethyl)-8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropyl]-20-methoxy-4,12-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 15-(cyclopropylmethyl)-8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate [ACD/IUPAC Name]
Ethyl-15-(cyclopropylmethyl)-8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-trien-15-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 859.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 473.4±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 168.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.70
ACD/KOC (pH 5.5): 702.75
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.97
ACD/KOC (pH 7.4): 705.61
Polar Surface Area: 141 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 494.8±7.0 cm3

Click to predict properties on the Chemicalize site


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